Geometry & MOs

Info

ID:	372056
PubChem CID:	131292703
Reduced:	FSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	238.009993
ΔH_f, kcal/mol:	-140.17
Dipole, Da:	5.79
IP(EA), eV:	-9.27(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-fluoro-6-hydroxy-1-benzothiophen-3-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C2=C1C=CS2)C(C(=O)O)O)F

DOS

IR

Vibrations